N-[fluoro(phenyl)methoxy]aniline

C13H12FNO — CID 87377775

IUPACN-[fluoro(phenyl)methoxy]aniline
SMILESFC(ONc1ccccc1)c1ccccc1
InChIInChI=1S/C13H12FNO/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyQNYKIVYVNBZYOY-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.70
Rot. Bonds4

About N-[fluoro(phenyl)methoxy]aniline

N-[fluoro(phenyl)methoxy]aniline (PubChem CID 87377775) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is N-[fluoro(phenyl)methoxy]aniline.

Molecular Properties

Compound NameN-[fluoro(phenyl)methoxy]aniline
PubChem CID87377775
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC NameN-[fluoro(phenyl)methoxy]aniline
SMILESFC(ONc1ccccc1)c1ccccc1
InChIInChI=1S/C13H12FNO/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyQNYKIVYVNBZYOY-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[fluoro(phenyl)methoxy]aniline?
The IUPAC name of N-[fluoro(phenyl)methoxy]aniline (CID 87377775) is N-[fluoro(phenyl)methoxy]aniline.
What is the SMILES notation for N-[fluoro(phenyl)methoxy]aniline?
The canonical SMILES for N-[fluoro(phenyl)methoxy]aniline is FC(ONc1ccccc1)c1ccccc1.
What is the InChIKey of N-[fluoro(phenyl)methoxy]aniline?
The InChIKey is QNYKIVYVNBZYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,13,15H.
What are the key properties of N-[fluoro(phenyl)methoxy]aniline?
N-[fluoro(phenyl)methoxy]aniline has a molecular weight of 217.24 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro(phenyl)methoxy]aniline is sourced from PubChem (CID 87377775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).